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CAS No.: | 2439-99-8 |
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Name: | Glyphosine |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C4H11NO8P2 |
Molecular Weight: | 263.081 |
Synonyms: | C 9552;CP41845;Glycine-N,N-bis(methylenephosphonic acid);Glycinedimethanephosphonicacid;Glyphosine;MON 845;MON-O45;N,N-Bis(phosphonomethyl)aminoacetic;N,N-Bis(phosphonomethyl)aminoacetic acid;N,N-Bis(phosphonomethyl)glycine;N,N-Di(phosphonomethyl)glycine;NSC 18468;Nitrilomonoacetic aciddimethylenephosphonic acid;Nitrilomonomethylcarbonyldimethylphosphonic acid;Polaris;Polaris (ripening agent); |
EINECS: | 219-468-4 |
Density: | 1.952 g/cm3 |
Melting Point: | 263 °C |
Boiling Point: | 668.4 °C at 760 mmHg |
Flash Point: | 358 °C |
Solubility: | freely soluble in water |
Appearance: | white to light yellow crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 41 |
Safety: | 26-2 |
Transport Information: | UN 3261 8/PG 3 |
PSA: | 175.22000 |
LogP: | -1.35660 |
Reported in EPA TSCA Inventory.
The CAS register number of Glyphosine is 2439-99-8. It also can be called as N,N-Bis(phosphonomethyl)glycine and the IUPAC name about this chemical is 2-[bis(phosphonomethyl)amino]acetic acid. The molecular formula about this chemical is C4H11NO8P2 and the molecular weight is 263.08. It belongs to the following product categories, such as Plant Growth Regulator; Analytical Chemistry; Chelating Reagents; Complexones; Edta Analogs and so on. This chemical is used as a plant growth regulator.The main purpose is to ripening and to increase sugar of cane and beet sugar. It is the first commercial sugar cane ripening agent in American, and was improved into the market in 1972. This chemical can be produced by the reaction of glycine, formaldehyde and phosphorus trichloride at 110 ℃.
Physical properties about Glyphosine are: (1)ACD/LogP: -2.89; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -7.92; (4)ACD/LogD (pH 7.4): -9.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 9; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 120.22Å2; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 45.75 cm3; (15)Molar Volume: 134.7 cm3; (16)Polarizability: 18.13x10-24cm3; (17)Surface Tension: 124.2 dyne/cm; (18)Enthalpy of Vaporization: 107.1 kJ/mol; (19)Boiling Point: 668.4 °C at 760 mmHg; (20)Vapour Pressure: 1.35E-19 mmHg at 25°C.
Preparation: this chemical can be prepared by chloroacetic acid and P,P'-(2-aza-propane-1,3-diyl)-bis-phosphonic acid. This reaction will need reagent H2O. The yield is about 60%.
Uses of Glyphosine: it can be used to produce methylaminomethyl-phosphonic acid at temperature of 70 ℃. This reaction will need reagent 17percent nitric acid and solvent H2O with reaction time of 1 hours. The yield is about 32%.
When you are using this chemical, please be cautious about it as the following:
This chemical has risk of serious damage to the eyes. When you are using it, you need keep out of the reach of children. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=P(O)(O)CN(CP(=O)(O)O)CC(=O)O
(2)InChI: InChI=1/C4H11NO8P2/c6-4(7)1-5(2-14(8,9)10)3-15(11,12)13/h1-3H2,(H,6,7)(H2,8,9,10)(H2,11,12,13)
(3)InChIKey: OXHDYFKENBXUEM-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C4H11NO8P2/c6-4(7)1-5(2-14(8,9)10)3-15(11,12)13/h1-3H2,(H,6,7)(H2,8,9,10)(H2,11,12,13)
(5)Std. InChIKey: OXHDYFKENBXUEM-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | oral | 3925mg/kg (3925mg/kg) | "Agricultural Chemicals," Thomson, W.T., 4 vols., Fresno, CA, Thomson Publications, 1976/77 revisionVol. 3, Pg. 60, 1976/1977. |